2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-[4-(2-methoxyethyl)piperazin-1-yl]butan-1-one
Chemical Structure Depiction of
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-[4-(2-methoxyethyl)piperazin-1-yl]butan-1-one
2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-[4-(2-methoxyethyl)piperazin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | V013-8296 |
| Compound Name: | 2-{[1-(3-fluorophenyl)-2-(3-methylbutanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-1-[4-(2-methoxyethyl)piperazin-1-yl]butan-1-one |
| Molecular Weight: | 539.69 |
| Molecular Formula: | C31 H42 F N3 O4 |
| Salt: | not_available |
| Smiles: | CCC(C(N1CCN(CC1)CCOC)=O)Oc1ccc2CCN(C(c3cccc(c3)F)c2c1)C(CC(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7611 |
| logD: | 4.7002 |
| logSw: | -4.5396 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.059 |
| InChI Key: | ADHNWYOYHBWHBY-UHFFFAOYSA-N |